6-fluoro-2-(trifluoromethyl)pyridine-3-carbaldehyde

C7H3F4NO — CID 118704317

IUPAC6-fluoro-2-(trifluoromethyl)pyridine-3-carbaldehyde
SMILESO=Cc1ccc(F)nc1C(F)(F)F
InChIInChI=1S/C7H3F4NO/c8-5-2-1-4(3-13)6(12-5)7(9,10)11/h1-3H
InChIKeyOVNZZCINAMETOC-UHFFFAOYSA-N
MW193.10 g/mol
LogP2.05
Rot. Bonds1

About 6-fluoro-2-(trifluoromethyl)pyridine-3-carbaldehyde

6-fluoro-2-(trifluoromethyl)pyridine-3-carbaldehyde (PubChem CID 118704317) has the molecular formula C7H3F4NO and a molecular weight of 193.10 g/mol. Its IUPAC name is 6-fluoro-2-(trifluoromethyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-fluoro-2-(trifluoromethyl)pyridine-3-carbaldehyde
PubChem CID118704317
Molecular FormulaC7H3F4NO
Molecular Weight193.10 g/mol
Exact Mass193.02
IUPAC Name6-fluoro-2-(trifluoromethyl)pyridine-3-carbaldehyde
SMILESO=Cc1ccc(F)nc1C(F)(F)F
InChIInChI=1S/C7H3F4NO/c8-5-2-1-4(3-13)6(12-5)7(9,10)11/h1-3H
InChIKeyOVNZZCINAMETOC-UHFFFAOYSA-N
XLogP2.05
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.10
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(trifluoromethyl)pyridine-3-carbaldehyde?
The IUPAC name of 6-fluoro-2-(trifluoromethyl)pyridine-3-carbaldehyde (CID 118704317) is 6-fluoro-2-(trifluoromethyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 6-fluoro-2-(trifluoromethyl)pyridine-3-carbaldehyde?
The canonical SMILES for 6-fluoro-2-(trifluoromethyl)pyridine-3-carbaldehyde is O=Cc1ccc(F)nc1C(F)(F)F.
What is the InChIKey of 6-fluoro-2-(trifluoromethyl)pyridine-3-carbaldehyde?
The InChIKey is OVNZZCINAMETOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F4NO/c8-5-2-1-4(3-13)6(12-5)7(9,10)11/h1-3H.
What are the key properties of 6-fluoro-2-(trifluoromethyl)pyridine-3-carbaldehyde?
6-fluoro-2-(trifluoromethyl)pyridine-3-carbaldehyde has a molecular weight of 193.10 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(trifluoromethyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 118704317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).